Why are time-dependent density functional theory excitations in solids equal to band structure energy gaps for semilocal functionals, and how does nonlocal Hartree-Fock-type exchange introduce excitonic effects?
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Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors.Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases.Screened hybrid density functionals for solid-state chemistry and physicsFundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations.Cryscor: a program for the post-Hartree–Fock treatment of periodic systemsLocal ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids
P2860
Why are time-dependent density functional theory excitations in solids equal to band structure energy gaps for semilocal functionals, and how does nonlocal Hartree-Fock-type exchange introduce excitonic effects?
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Why are time-dependent density ...... e introduce excitonic effects?
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Why are time-dependent density ...... e introduce excitonic effects?
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type
label
Why are time-dependent density ...... e introduce excitonic effects?
@en
Why are time-dependent density ...... e introduce excitonic effects?
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Why are time-dependent density ...... e introduce excitonic effects?
@en
Why are time-dependent density ...... e introduce excitonic effects?
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P2860
P356
P1476
Why are time-dependent density ...... e introduce excitonic effects?
@en
P2093
Artur F Izmaylov
Gustavo E Scuseria
P2860
P304
P356
10.1063/1.2953701
P407
P577
2008-07-01T00:00:00Z